Basic information
- CAS
20762-30-5- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)C=O)[C@@H](O)[C@H]1O- InChIKey
PWJFNRJRHXWEPT-AOOZFPJJSA-N- Molecular formula
- C15H23N5O14P2
- Average molar mass
- 559.32 g/mol
- Monoisotopic mass
- 559.07167442
Overview
Adenosine diphosphate ribose is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- ADP ribose
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] hydrogen phosphate
- English name
- [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]phosphoryl] hydrogen phosphate
- Molecular formula
- C15H23N5O14P2
- Molecular weight
- 559.32
Names & synonyms
ADP Ribose20762-30-5Ribose adenosinediphosphateADPRXV3S4KV26E5-(Adenosine 5'-pyrophosphoryl)-D-ribose5'-Diphosphoribose, AdenosineAdenosine 5'-pyrophosphate, 5'-5-ester with D-ribofuranose[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] hydrogen phosphateRibose, ADP(((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) ((2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl) hydrogen phosphate((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl (hydroxy-((2R,3R,4R)-2,3,4-trihydroxy-5-oxopentoxy)phosphoryl) hydrogen phosphate
Show more names
Adenosine diphosphate riboseAdenosindiphosphoriboseADPR，AdenosindiphosphoriboseAdenosine pyrophosphate-riboseAdenosine 5'-diphosphoric acid β-(5-deoxy-D-ribos-5-yl) esterAdenosine 5'-(trihydrogen diphosphate), P'→5-ester with D-ribose
Properties
Computed structural properties
- XLogP
- -6.4
- Topological polar surface area
- 299 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 859
Experimental & physicochemical properties
Collision Cross Section211.4 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physicochemical properties
- Boiling point
- 1007.5 · 1007.5±75.0 °C(Predicted)
- Density
- 2.24 · 2.24±0.1 g/cm3(Predicted)
- pka
- 1.13 · 1.13±0.50(Predicted)
- form
- Solid
- color
- Light yellow to yellow
- FDA UNII
- 3 S4KV26E · XV3S4KV26E
Chemistry & industry
Applications
Uses2'/3'-O-(3-Methylglutaryl) ADP Ribose Disodium Salt are derivatives of ADP Ribose , which is a byproduct of β-Nicotinamide Adenine Dinucleotide (NAD) . NAD acts as coenzyme of redox reactions for energy transduction and is consumed as substrate to produce ADP Ribose.
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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